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大连化学物理研究所 [18]
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期刊论文 [115]
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2015 [115]
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发表日期:2015
内容类型:期刊论文
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Excited-State Deactivation of Branched Phthalocyanine Compounds
期刊论文
CHEMPHYSCHEM, 2015, 卷号: 16, 期号: 18, 页码: 3893-3901
作者:
Zhu, Huaning
;
Li, Yang
;
Chen, Jun
;
Zhou, Meng
;
Niu, Yingli
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2016/02/22
ab initio calculations
energy transfer
time-resolved spectroscopy
molecular dynamics
phthalocyanines
Analyses of the influences of molecular vacancy defect on the geometrical structure, electronic structure, and vibration characteristics of Hexogeon energetic material
期刊论文
ACTA PHYSICA SINICA, 2015, 卷号: 64, 期号: 24
作者:
Jiang Yan-Xue
;
Peng Ya-Jing
收藏
  |  
浏览/下载:178/0
  |  
提交时间:2019/06/20
Vacancy Defect
Energetic Materials
Electronic Structure
Vibration Characteristics
Crossed Molecular Beams and Quasiclassical Trajectory Surface Hopping Studies of the Multichannel Nonadiabatic O(P-3) + Ethylene Reaction at High Collision Energy
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2015, 卷号: 119, 期号: 50, 页码: 12498-12511
作者:
Balucani, Nadia
;
Leonori, Francesca
;
Casavecchia, Piergiorgio
;
Fu, Bina
;
Bowman, Joel M.
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  |  
浏览/下载:27/0
  |  
提交时间:2019/06/20
Theoretical investigation of the effects of impurity on the properties of Nb2GeC
期刊论文
ACTA PHYSICA SINICA, 2015, 卷号: 64, 页码: 7
作者:
Chen Jun-Jun
;
Duan Ji-Zheng
;
Zhang Xue-Zhi
;
Jiang Xin
;
Duan Wen-Shan
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  |  
浏览/下载:11/0
  |  
提交时间:2018/05/31
MAX phase
first principles
impurity
How to Optimize the Interface between Photosensitizers and TiO2 Nanocrystals with Molecular Engineering to Enhance Performances of Dye-Sensitized Solar Cells?
期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2015, 卷号: 7, 期号: 45, 页码: 25341-25351
作者:
Zheng, Jiaxin
;
Zhang, Kai
;
Fang, Yanyan
;
Zuo, Yunxing
;
Duan, Yandong
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  |  
浏览/下载:29/0
  |  
提交时间:2015/12/28
DSSCs
metal-free photosensitizer
interface
steric effect
electronic structure
ab initio calculations
Structures and Electronic Properties of (KI)(n)(-/0) (n=1-4) and K(KI)(n)(-/0) (n=1-3) Clusters: Photoelectron Spectroscopy, Isomer-Depletion, and ab lnitio Calculations
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2015, 卷号: 119, 期号: 45, 页码: 11154-11161
作者:
Hou, Gao-Lei
;
Feng, Gang
;
Zhao, Li-Juan
;
Xu, Hong-Guang
;
Zheng, Wei-Jun
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  |  
浏览/下载:21/0
  |  
提交时间:2015/12/21
Theoretical studies of traditional and halogen-shared halogen bonds: the doped all-metal aromatic clusters MAl3 (-) (M = Si, Ge, Sn, Pb) as halogen bond acceptors
期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2015
Cheng, Na
;
Liu, Yongjun
;
Zhang, Changqiao
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  |  
浏览/下载:10/0
  |  
提交时间:2019/06/14
Theoretical studies of traditional and halogen-shared halogen bonds: the doped all-metal aromatic clusters MAl3 (-) (M = Si, Ge, Sn, Pb) as halogen bond acceptors
期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2015
Cheng, Na
;
Liu, Yongjun
;
Zhang, Changqiao
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  |  
浏览/下载:13/0
  |  
提交时间:2019/07/05
Theoretical studies of traditional and halogen-shared halogen bonds: the doped all-metal aromatic clusters MAl3 (-) (M = Si, Ge, Sn, Pb) as halogen bond acceptors
期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2015
Cheng, Na
;
Liu, Yongjun
;
Zhang, Changqiao
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2019/06/21
Theoretical studies of traditional and halogen-shared halogen bonds: the doped all-metal aromatic clusters MAl3 (-) (M = Si, Ge, Sn, Pb) as halogen bond acceptors
期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2015
Cheng, Na
;
Liu, Yongjun
;
Zhang, Changqiao
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/06/28
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